trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine

C13H19N3 — CID 157284559

IUPACtrans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine
SMILESN[C@H]1CC[C@H](Cc2ncc(C3CC3)cn2)C1
InChIInChI=1S/C13H19N3/c14-12-4-1-9(5-12)6-13-15-7-11(8-16-13)10-2-3-10/h7-10,12H,1-6,14H2/t9-,12-/m0/s1
InChIKeyDACAHUCHIPGILP-CABZTGNLSA-N
MW217.32 g/mol
LogP2.02
Rot. Bonds3

About trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine

trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine (PubChem CID 157284559) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine
PubChem CID157284559
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Nametrans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine
SMILESN[C@H]1CC[C@H](Cc2ncc(C3CC3)cn2)C1
InChIInChI=1S/C13H19N3/c14-12-4-1-9(5-12)6-13-15-7-11(8-16-13)10-2-3-10/h7-10,12H,1-6,14H2/t9-,12-/m0/s1
InChIKeyDACAHUCHIPGILP-CABZTGNLSA-N
XLogP2.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine
CID 159313291
2-(oxiran-2-ylmethyl)-5-[4-(oxiran-2-ylmethyl)cyclohexyl]pyrimidine
CID 59790708
4-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 58432562
3-[(4-cyclopentylphenyl)methyl]cyclopentan-1-amine
CID 167085192
5-bromo-2-(cyclopropylmethyl)pyrimidine
CID 58368900
(5-cyclohexylpyrimidin-2-yl)methanamine
CID 83697989
5-cyclopropylpyrimidine-2-carbonitrile;(5-cyclopropylpyrimidin-2-yl)methanamine
CID 157184406
3-(4-cyclobutylphenyl)cyclopentan-1-amine
CID 116506752
N-[(3-aminocyclopentyl)methyl]-5-fluoropyrimidin-2-amine
CID 106126495
2-[5-(oxan-4-yl)pyrimidin-2-yl]ethanamine
CID 83916591
2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
CID 130494271
3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine
CID 64506233

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine (CID 157284559) is trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine is N[C@H]1CC[C@H](Cc2ncc(C3CC3)cn2)C1.
What is the InChIKey of trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is DACAHUCHIPGILP-CABZTGNLSA-N. The full InChI is InChI=1S/C13H19N3/c14-12-4-1-9(5-12)6-13-15-7-11(8-16-13)10-2-3-10/h7-10,12H,1-6,14H2/t9-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine?
trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[(5-cyclopropylpyrimidin-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 157284559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).