3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C15H26N4O2 — CID 106137939

IUPAC3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCCNc1cc(NCC2CCC(O)C2)nc(COC)n1
InChIInChI=1S/C15H26N4O2/c1-3-6-16-13-8-14(19-15(18-13)10-21-2)17-9-11-4-5-12(20)7-11/h8,11-12,20H,3-7,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyBHFWAKXKCGMWHZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.02
Rot. Bonds8

About 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 106137939) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID106137939
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCCNc1cc(NCC2CCC(O)C2)nc(COC)n1
InChIInChI=1S/C15H26N4O2/c1-3-6-16-13-8-14(19-15(18-13)10-21-2)17-9-11-4-5-12(20)7-11/h8,11-12,20H,3-7,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyBHFWAKXKCGMWHZ-UHFFFAOYSA-N
XLogP2.02
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

3-[[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137938
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366
4-[[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138505
3-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80949592
3-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137198
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
3-[[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106138702
3-[2-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311652
4-[[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138643
methyl 4-[(3-hydroxycyclopentyl)methylamino]-6-methylpyrimidine-2-carboxylate
CID 106127799
4-N-(cyclobutylmethyl)-4-N-ethyl-2-(methoxymethyl)-6-N-propylpyrimidine-4,6-diamine
CID 107403005

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 106137939) is 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CCCNc1cc(NCC2CCC(O)C2)nc(COC)n1.
What is the InChIKey of 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is BHFWAKXKCGMWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-6-16-13-8-14(19-15(18-13)10-21-2)17-9-11-4-5-12(20)7-11/h8,11-12,20H,3-7,9-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).