4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine

C10H17N5O — CID 80817558

IUPAC4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
SMILESCOC1CCCC1Nc1cc(N)nc(N)n1
InChIInChI=1S/C10H17N5O/c1-16-7-4-2-3-6(7)13-9-5-8(11)14-10(12)15-9/h5-7H,2-4H2,1H3,(H5,11,12,13,14,15)
InChIKeyPVRZLMYGEVDSBV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.62
Rot. Bonds3

About 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine

4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine (PubChem CID 80817558) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
PubChem CID80817558
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
SMILESCOC1CCCC1Nc1cc(N)nc(N)n1
InChIInChI=1S/C10H17N5O/c1-16-7-4-2-3-6(7)13-9-5-8(11)14-10(12)15-9/h5-7H,2-4H2,1H3,(H5,11,12,13,14,15)
InChIKeyPVRZLMYGEVDSBV-UHFFFAOYSA-N
XLogP0.62
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine
CID 62086991
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817326
2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767568
4-N-(2-methoxycyclopentyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80817483
N-(2-methoxycyclopentyl)pyrimidin-4-amine
CID 62086456
6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine
CID 115474051
1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
CID 62088185
2-[(2-methoxycyclopentyl)amino]quinoline-4-carbothioamide
CID 63886118
6-N-ethyl-4-N-(2-methoxycyclopentyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771675
5-amino-2-[(2-methoxycyclopentyl)amino]pyridine-4-carboxamide
CID 114090303
6-[(2-methoxycyclopentyl)amino]pyridine-2-carboxylic acid
CID 62238707

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine (CID 80817558) is 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine is COC1CCCC1Nc1cc(N)nc(N)n1.
What is the InChIKey of 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine?
The InChIKey is PVRZLMYGEVDSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-16-7-4-2-3-6(7)13-9-5-8(11)14-10(12)15-9/h5-7H,2-4H2,1H3,(H5,11,12,13,14,15).
What are the key properties of 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine?
4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine has a molecular weight of 223.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80817558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).