4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine

C13H22N4O — CID 113491390

IUPAC4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2(C)CCOCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-3-6-14-11-9-12(16-10-15-11)17-13(2)4-7-18-8-5-13/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyYGCHACVFFZDKHY-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.28
Rot. Bonds5

About 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine

4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 113491390) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID113491390
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NC2(C)CCOCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-3-6-14-11-9-12(16-10-15-11)17-13(2)4-7-18-8-5-13/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyYGCHACVFFZDKHY-UHFFFAOYSA-N
XLogP2.28
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83027310
[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457224
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80825653
2-[1-[[[6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759513
6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
CID 113491377
N-[(4-methyloxan-4-yl)methyl]-6-propylpyrimidin-4-amine
CID 114125912
4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80852928
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine
CID 113367730
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
2,2-dimethyl-3-[[6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 114632888

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine (CID 113491390) is 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NC2(C)CCOCC2)ncn1.
What is the InChIKey of 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is YGCHACVFFZDKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-6-14-11-9-12(16-10-15-11)17-13(2)4-7-18-8-5-13/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 113491390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).