2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine

C12H20N4 — CID 99834657

IUPAC2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine
SMILESCC1(C)CCC[C@H]1NCc1nccc(N)n1
InChIInChI=1S/C12H20N4/c1-12(2)6-3-4-9(12)15-8-11-14-7-5-10(13)16-11/h5,7,9,15H,3-4,6,8H2,1-2H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyXGAFJGILUXAXQP-SECBINFHSA-N
MW220.32 g/mol
LogP1.73
Rot. Bonds3

About 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine

2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine (PubChem CID 99834657) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine
PubChem CID99834657
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine
SMILESCC1(C)CCC[C@H]1NCc1nccc(N)n1
InChIInChI=1S/C12H20N4/c1-12(2)6-3-4-9(12)15-8-11-14-7-5-10(13)16-11/h5,7,9,15H,3-4,6,8H2,1-2H3,(H2,13,14,16)/t9-/m1/s1
InChIKeyXGAFJGILUXAXQP-SECBINFHSA-N
XLogP1.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine (CID 99834657) is 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine is CC1(C)CCC[C@H]1NCc1nccc(N)n1.
What is the InChIKey of 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine?
The InChIKey is XGAFJGILUXAXQP-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4/c1-12(2)6-3-4-9(12)15-8-11-14-7-5-10(13)16-11/h5,7,9,15H,3-4,6,8H2,1-2H3,(H2,13,14,16)/t9-/m1/s1.
What are the key properties of 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine?
2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-2,2-dimethylcyclopentyl]amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 99834657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).