4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C14H23N5 — CID 24994542

IUPAC4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H23N5/c1-16-11-6-7-19(9-11)13-8-12(17-14(15)18-13)10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H2,15,17,18)/t11-/m1/s1
InChIKeyJVAPCPQDDCZQRB-LLVKDONJSA-N
MW261.37 g/mol
LogP1.51
Rot. Bonds3

About 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 24994542) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID24994542
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H23N5/c1-16-11-6-7-19(9-11)13-8-12(17-14(15)18-13)10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H2,15,17,18)/t11-/m1/s1
InChIKeyJVAPCPQDDCZQRB-LLVKDONJSA-N
XLogP1.51
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 24994542) is 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1.
What is the InChIKey of 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is JVAPCPQDDCZQRB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5/c1-16-11-6-7-19(9-11)13-8-12(17-14(15)18-13)10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H2,15,17,18)/t11-/m1/s1.
What are the key properties of 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 24994542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).