4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine

C12H22N6 — CID 152545011

IUPAC4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(C3CC3)N=C(N)N2)C1
InChIInChI=1S/C12H22N6/c1-15-9-4-5-18(7-9)10-6-12(14,8-2-3-8)17-11(13)16-10/h6,8-9,15H,2-5,7,14H2,1H3,(H3,13,16,17)/t9-,12?/m1/s1
InChIKeyYMHNWKLFTPVPRJ-PKEIRNPWSA-N
MW250.35 g/mol
LogP-0.90
Rot. Bonds3

About 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine

4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 152545011) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID152545011
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(C2=CC(N)(C3CC3)N=C(N)N2)C1
InChIInChI=1S/C12H22N6/c1-15-9-4-5-18(7-9)10-6-12(14,8-2-3-8)17-11(13)16-10/h6,8-9,15H,2-5,7,14H2,1H3,(H3,13,16,17)/t9-,12?/m1/s1
InChIKeyYMHNWKLFTPVPRJ-PKEIRNPWSA-N
XLogP-0.90
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopropylmethyl)-6-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492554
4-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 143492542
6-[3-(methylamino)azetidin-1-yl]-4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 154014522
4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152629962
2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 175897249
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 53377888
1-(1-ethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
CID 115300867
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
N-methyl-1-(5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 107585704

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 152545011) is 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is CN[C@@H]1CCN(C2=CC(N)(C3CC3)N=C(N)N2)C1.
What is the InChIKey of 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is YMHNWKLFTPVPRJ-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H22N6/c1-15-9-4-5-18(7-9)10-6-12(14,8-2-3-8)17-11(13)16-10/h6,8-9,15H,2-5,7,14H2,1H3,(H3,13,16,17)/t9-,12?/m1/s1.
What are the key properties of 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of -0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 152545011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).