6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine

C14H16F2N6 — CID 69028705

IUPAC6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(F)c(F)c2)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C14H16F2N6/c15-10-2-1-9(5-11(10)16)19-12-6-13(21-14(18)20-12)22-4-3-8(17)7-22/h1-2,5-6,8H,3-4,7,17H2,(H3,18,19,20,21)/t8-/m1/s1
InChIKeyXHRZXKDKUSBOPL-MRVPVSSYSA-N
MW306.32 g/mol
LogP1.62
Rot. Bonds3

About 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine

6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine (PubChem CID 69028705) has the molecular formula C14H16F2N6 and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
PubChem CID69028705
Molecular FormulaC14H16F2N6
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(F)c(F)c2)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C14H16F2N6/c15-10-2-1-9(5-11(10)16)19-12-6-13(21-14(18)20-12)22-4-3-8(17)7-22/h1-2,5-6,8H,3-4,7,17H2,(H3,18,19,20,21)/t8-/m1/s1
InChIKeyXHRZXKDKUSBOPL-MRVPVSSYSA-N
XLogP1.62
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-2,4-diamine
CID 58733297
N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876634
6-(3-aminopyrrolidin-1-yl)-4-N-[(1R)-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
CID 68551084
6-(4-aminopiperidin-1-yl)-N-(3-bromo-4-fluorophenyl)-2-methylsulfonylpyrimidin-4-amine
CID 163290505
4-N-(3-chlorophenyl)-6-[(3R)-3-(ethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 90846608
6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 67695128
4-N-(2,4-difluoro-3-methoxyphenyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 91045328
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 122456358
4-N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 58733247
4-N-(3-ethylphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 91131494
5-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 80908581

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine (CID 69028705) is 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine is Nc1nc(Nc2ccc(F)c(F)c2)cc(N2CC[C@@H](N)C2)n1.
What is the InChIKey of 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is XHRZXKDKUSBOPL-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16F2N6/c15-10-2-1-9(5-11(10)16)19-12-6-13(21-14(18)20-12)22-4-3-8(17)7-22/h1-2,5-6,8H,3-4,7,17H2,(H3,18,19,20,21)/t8-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine?
6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 306.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopyrrolidin-1-yl]-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69028705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).