1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

C14H24N4O — CID 114953995

IUPAC1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCCCc1c(N)ncnc1N(C)CC1(O)CCCC1
InChIInChI=1S/C14H24N4O/c1-3-6-11-12(15)16-10-17-13(11)18(2)9-14(19)7-4-5-8-14/h10,19H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyVKOVVRRPBKZQJS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds5

About 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol

1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114953995) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114953995
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCCCc1c(N)ncnc1N(C)CC1(O)CCCC1
InChIInChI=1S/C14H24N4O/c1-3-6-11-12(15)16-10-17-13(11)18(2)9-14(19)7-4-5-8-14/h10,19H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyVKOVVRRPBKZQJS-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954120
1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114072836
1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114954073
1-[[(6-amino-5-nitropyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114953991
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80795825
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80833913
4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
CID 80774677
4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954252
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine
CID 80821387

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (CID 114953995) is 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is CCCc1c(N)ncnc1N(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is VKOVVRRPBKZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-6-11-12(15)16-10-17-13(11)18(2)9-14(19)7-4-5-8-14/h10,19H,3-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114953995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).