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

C14H24N4O2 — CID 114954120

IUPAC4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCCCc1c(N)ncnc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H24N4O2/c1-3-4-11-12(15)16-10-17-13(11)18(2)9-14(19)5-7-20-8-6-14/h10,19H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyCGHUKKJDEZDNDB-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.99
Rot. Bonds5

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

4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (PubChem CID 114954120) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
PubChem CID114954120
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
SMILESCCCc1c(N)ncnc1N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H24N4O2/c1-3-4-11-12(15)16-10-17-13(11)18(2)9-14(19)5-7-20-8-6-14/h10,19H,3-9H2,1-2H3,(H2,15,16,17)
InChIKeyCGHUKKJDEZDNDB-UHFFFAOYSA-N
XLogP0.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114953995
4-[[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954252
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153
4-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954262
1-[[(6-amino-5-bromopyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114072836
4-[[(6-amino-3,5-dichloro-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 102760185
4-[[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114954173
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 102687057
4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80795825

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol (CID 114954120) is 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol is CCCc1c(N)ncnc1N(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
The InChIKey is CGHUKKJDEZDNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-4-11-12(15)16-10-17-13(11)18(2)9-14(19)5-7-20-8-6-14/h10,19H,3-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol?
4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol has a molecular weight of 280.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-amino-5-propylpyrimidin-4-yl)-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114954120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).