2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine

C16H26N4O2 — CID 164638257

IUPAC2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine
SMILESCO[C@H]1CCC[C@@H]1Nc1ccnc(N[C@H]2CCC[C@@H]2OC)n1
InChIInChI=1S/C16H26N4O2/c1-21-13-7-3-5-11(13)18-15-9-10-17-16(20-15)19-12-6-4-8-14(12)22-2/h9-14H,3-8H2,1-2H3,(H2,17,18,19,20)/t11-,12-,13-,14-/m0/s1
InChIKeyBKWQQAYWEUHMOR-XUXIUFHCSA-N
MW306.41 g/mol
LogP2.44
Rot. Bonds6

About 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine

2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine (PubChem CID 164638257) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine
PubChem CID164638257
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine
SMILESCO[C@H]1CCC[C@@H]1Nc1ccnc(N[C@H]2CCC[C@@H]2OC)n1
InChIInChI=1S/C16H26N4O2/c1-21-13-7-3-5-11(13)18-15-9-10-17-16(20-15)19-12-6-4-8-14(12)22-2/h9-14H,3-8H2,1-2H3,(H2,17,18,19,20)/t11-,12-,13-,14-/m0/s1
InChIKeyBKWQQAYWEUHMOR-XUXIUFHCSA-N
XLogP2.44
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine (CID 164638257) is 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine is CO[C@H]1CCC[C@@H]1Nc1ccnc(N[C@H]2CCC[C@@H]2OC)n1.
What is the InChIKey of 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine?
The InChIKey is BKWQQAYWEUHMOR-XUXIUFHCSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-21-13-7-3-5-11(13)18-15-9-10-17-16(20-15)19-12-6-4-8-14(12)22-2/h9-14H,3-8H2,1-2H3,(H2,17,18,19,20)/t11-,12-,13-,14-/m0/s1.
What are the key properties of 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine?
2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine has a molecular weight of 306.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(1S,2S)-2-methoxycyclopentyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 164638257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).