7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

C21H28N6 — CID 70951109

IUPAC7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC1CN(C2CC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc21
InChIInChI=1S/C21H28N6/c1-15-14-27(18-7-8-18)20-19(15)13-22-21(24-20)23-16-3-5-17(6-4-16)26-11-9-25(2)10-12-26/h3-6,13,15,18H,7-12,14H2,1-2H3,(H,22,23,24)
InChIKeyBCMQVXMPQZDAGJ-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.06
Rot. Bonds4

About 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 70951109) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID70951109
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC1CN(C2CC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc21
InChIInChI=1S/C21H28N6/c1-15-14-27(18-7-8-18)20-19(15)13-22-21(24-20)23-16-3-5-17(6-4-16)26-11-9-25(2)10-12-26/h3-6,13,15,18H,7-12,14H2,1-2H3,(H,22,23,24)
InChIKeyBCMQVXMPQZDAGJ-UHFFFAOYSA-N
XLogP3.06
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

8-(4-methylcyclohexyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 18374881
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
tert-butyl 4-[5-[(7-cyclopentyl-5-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 70951011
5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
CID 164533944
4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383458
5-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
CID 164533760
5-fluoro-4-imidazol-1-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383489
1-[6-(1-hydroxy-2-methylpropan-2-yl)-2-pyridinyl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-propyl-3H-pyrazolo[3,4-d]pyrimidin-3-ol
CID 143570948
7-(2-bicyclo[2.2.1]heptanyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646629
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513
1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-6-[4-(4-methylpiperazin-1-yl)anilino]-3H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde
CID 175149883
8-cyclohexyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-5-one
CID 91144575

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine (CID 70951109) is 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is CC1CN(C2CC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc21.
What is the InChIKey of 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is BCMQVXMPQZDAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-15-14-27(18-7-8-18)20-19(15)13-22-21(24-20)23-16-3-5-17(6-4-16)26-11-9-25(2)10-12-26/h3-6,13,15,18H,7-12,14H2,1-2H3,(H,22,23,24).
What are the key properties of 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 364.50 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 70951109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).