cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine

C10H16N4 — CID 69483172

IUPACcis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine
SMILESNC(c1ncccn1)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C10H16N4/c11-8-3-2-7(6-8)9(12)10-13-4-1-5-14-10/h1,4-5,7-9H,2-3,6,11-12H2/t7-,8+,9?/m0/s1
InChIKeyNAATYPGIOKLAHL-ZQTLJVIJSA-N
MW192.27 g/mol
LogP0.60
Rot. Bonds2

About cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine

cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine (PubChem CID 69483172) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine
PubChem CID69483172
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Namecis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine
SMILESNC(c1ncccn1)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C10H16N4/c11-8-3-2-7(6-8)9(12)10-13-4-1-5-14-10/h1,4-5,7-9H,2-3,6,11-12H2/t7-,8+,9?/m0/s1
InChIKeyNAATYPGIOKLAHL-ZQTLJVIJSA-N
XLogP0.60
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine (CID 69483172) is cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine is NC(c1ncccn1)[C@H]1CC[C@@H](N)C1.
What is the InChIKey of cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is NAATYPGIOKLAHL-ZQTLJVIJSA-N. The full InChI is InChI=1S/C10H16N4/c11-8-3-2-7(6-8)9(12)10-13-4-1-5-14-10/h1,4-5,7-9H,2-3,6,11-12H2/t7-,8+,9?/m0/s1.
What are the key properties of cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine?
cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 192.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[amino(pyrimidin-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 69483172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).