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

C14H24N6 — CID 54587790

IUPAC4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(NC3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H24N6/c1-16-11-6-7-20(9-11)13-8-12(18-14(15)19-13)17-10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H3,15,17,18,19)/t11-/m1/s1
InChIKeyKETALUMMYOPNQP-LLVKDONJSA-N
MW276.39 g/mol
LogP1.21
Rot. Bonds4

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

4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 54587790) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
PubChem CID54587790
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESCN[C@@H]1CCN(c2cc(NC3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H24N6/c1-16-11-6-7-20(9-11)13-8-12(18-14(15)19-13)17-10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H3,15,17,18,19)/t11-/m1/s1
InChIKeyKETALUMMYOPNQP-LLVKDONJSA-N
XLogP1.21
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine (CID 54587790) is 4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine is CN[C@@H]1CCN(c2cc(NC3CCCC3)nc(N)n2)C1.
What is the InChIKey of 4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is KETALUMMYOPNQP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N6/c1-16-11-6-7-20(9-11)13-8-12(18-14(15)19-13)17-10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H3,15,17,18,19)/t11-/m1/s1.
What are the key properties of 4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 276.39 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 54587790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).