cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine

C20H23N7 — CID 144535863

IUPACcyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine
SMILESC1CC1.CC(Nc1nccc(Nc2ccn[nH]2)n1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H17N7.C3H6/c1-11(12-2-3-14-13(10-12)4-7-18-14)21-17-19-8-5-15(23-17)22-16-6-9-20-24-16;1-2-3-1/h2-11,18H,1H3,(H3,19,20,21,22,23,24);1-3H2
InChIKeyPGUBKHNMLFRMST-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.77
Rot. Bonds5

About cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine

cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 144535863) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Namecyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine
PubChem CID144535863
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Namecyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine
SMILESC1CC1.CC(Nc1nccc(Nc2ccn[nH]2)n1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H17N7.C3H6/c1-11(12-2-3-14-13(10-12)4-7-18-14)21-17-19-8-5-15(23-17)22-16-6-9-20-24-16;1-2-3-1/h2-11,18H,1H3,(H3,19,20,21,22,23,24);1-3H2
InChIKeyPGUBKHNMLFRMST-UHFFFAOYSA-N
XLogP4.77
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-cyclopropyl-2H-pyrrol-5-yl)-2-N-[(1R)-1-(1H-indol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 161353442
2-[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(1H-indol-5-yl)ethylamino]pyrimidin-4-yl]propan-2-ol
CID 71272621
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(1H-indol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 71529062
5-(1-chloroethyl)-1H-indole
CID 174700849
5-propan-2-yl-1H-indole
CID 10558918
N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
CID 88557543
2-N-[(1S)-1-(3H-benzimidazol-5-yl)ethyl]-4-N-[3-(cyclopropylmethyl)-2H-pyrrol-5-yl]pyrimidine-2,4-diamine
CID 147004839
2-N-[amino(1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 123586243
N-[1-(4-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43204264
2-N-[1-(3,4-dichlorophenyl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133382451
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 54755230

Frequently Asked Questions

What is the IUPAC name of cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine (CID 144535863) is cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine is C1CC1.CC(Nc1nccc(Nc2ccn[nH]2)n1)c1ccc2[nH]ccc2c1.
What is the InChIKey of cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is PGUBKHNMLFRMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7.C3H6/c1-11(12-2-3-14-13(10-12)4-7-18-14)21-17-19-8-5-15(23-17)22-16-6-9-20-24-16;1-2-3-1/h2-11,18H,1H3,(H3,19,20,21,22,23,24);1-3H2.
What are the key properties of cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine?
cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 361.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;2-N-[1-(1H-indol-5-yl)ethyl]-4-N-(1H-pyrazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 144535863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).