4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

C14H23N5 — CID 42623971

IUPAC4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1(C)CN(c2cc(C3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H23N5/c1-14(16-2)8-19(9-14)12-7-11(17-13(15)18-12)10-5-3-4-6-10/h7,10,16H,3-6,8-9H2,1-2H3,(H2,15,17,18)
InChIKeyZIGAMNUDGMQHGN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.51
Rot. Bonds3

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

4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (PubChem CID 42623971) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
PubChem CID42623971
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1(C)CN(c2cc(C3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H23N5/c1-14(16-2)8-19(9-14)12-7-11(17-13(15)18-12)10-5-3-4-6-10/h7,10,16H,3-6,8-9H2,1-2H3,(H2,15,17,18)
InChIKeyZIGAMNUDGMQHGN-UHFFFAOYSA-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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Related Compounds

4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 74948760
4-cyclopentyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623888
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
(2S)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylic acid
CID 68869726
4-cyclohexyl-6-(6-nitro-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amine
CID 68543138
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclohexylpyrimidin-2-amine
CID 53257801
4-cyclobutyl-6-methylpyrimidin-2-amine
CID 116894620
6-cyclobutylpyrimidine-2,4-diamine
CID 156773674
tert-butyl (2R)-4-(2-amino-6-cyclopentylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 68545431
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 66741197
4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 66740771
4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (CID 42623971) is 4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is CNC1(C)CN(c2cc(C3CCCC3)nc(N)n2)C1.
What is the InChIKey of 4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The InChIKey is ZIGAMNUDGMQHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-14(16-2)8-19(9-14)12-7-11(17-13(15)18-12)10-5-3-4-6-10/h7,10,16H,3-6,8-9H2,1-2H3,(H2,15,17,18).
What are the key properties of 4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-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-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 42623971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).