4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine

C11H15F2N5 — CID 122491392

IUPAC4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C11H15F2N5/c12-11(13)3-4-18(6-11)9-5-8(15-7-1-2-7)16-10(14)17-9/h5,7H,1-4,6H2,(H3,14,15,16,17)
InChIKeyYOWKYWPIOMUNJN-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.48
Rot. Bonds3

About 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine

4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine (PubChem CID 122491392) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine
PubChem CID122491392
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC Name4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESNc1nc(NC2CC2)cc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C11H15F2N5/c12-11(13)3-4-18(6-11)9-5-8(15-7-1-2-7)16-10(14)17-9/h5,7H,1-4,6H2,(H3,14,15,16,17)
InChIKeyYOWKYWPIOMUNJN-UHFFFAOYSA-N
XLogP1.48
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Adriforant
CID 24745335
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
(R)-N4-cyclopentyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54587790
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 44126357
(R)-N4-isopropyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54584824
4-(Piperazin-1-yl)-6-(pyrrolidin-1-yl)pyrimidin-2-amine
CID 54580746
(R)-N2-cyclopentyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54582865
(R)-4-(3-(methylamino)pyrrolidin-1-yl)-6-(pyrrolidin-1-yl)pyrimidin-2-amine
CID 54583875
(R)-N2-isopropyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54584825
(R)-6-(3-(methylamino)pyrrolidin-1-yl)-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 54584826

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine (CID 122491392) is 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine is Nc1nc(NC2CC2)cc(N2CCC(F)(F)C2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is YOWKYWPIOMUNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c12-11(13)3-4-18(6-11)9-5-8(15-7-1-2-7)16-10(14)17-9/h5,7H,1-4,6H2,(H3,14,15,16,17).
What are the key properties of 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 255.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-(3,3-difluoropyrrolidin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 122491392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).