4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C28H46N10 — CID 159078071

IUPAC4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1.CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1
InChIInChI=1S/2C14H23N5/c2*1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h2*10-11H,2-9H2,1H3,(H2,15,16,17)
InChIKeyKAMRVWYVDJHJAL-UHFFFAOYSA-N
MW522.75 g/mol
LogP2.94
Rot. Bonds4

About 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 159078071) has the molecular formula C28H46N10 and a molecular weight of 522.75 g/mol. Its IUPAC name is 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID159078071
Molecular FormulaC28H46N10
Molecular Weight522.75 g/mol
Exact Mass522.39
IUPAC Name4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1.CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1
InChIInChI=1S/2C14H23N5/c2*1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h2*10-11H,2-9H2,1H3,(H2,15,16,17)
InChIKeyKAMRVWYVDJHJAL-UHFFFAOYSA-N
XLogP2.94
TPSA116.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.75
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

4-cyclopentyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623888
4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623971
(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid
CID 68869726
4-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 56868687
6-cyclohexyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 66741584
4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 91798018
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91788988
6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54585780
4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512
tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 68545431
3-[2-amino-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91763301
4-cyclohexyl-6-(6-nitro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amine
CID 68543138

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 159078071) is 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1.CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1.
What is the InChIKey of 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is KAMRVWYVDJHJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H23N5/c2*1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h2*10-11H,2-9H2,1H3,(H2,15,16,17).
What are the key properties of 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 522.75 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 159078071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).