4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine

C15H26N4O — CID 80796286

IUPAC4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(C)CC2CCCCO2)n1
InChIInChI=1S/C15H26N4O/c1-4-8-16-15-17-12(2)10-14(18-15)19(3)11-13-7-5-6-9-20-13/h10,13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyYCJAKDXQWYXRBJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.61
Rot. Bonds6

About 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine

4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80796286) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80796286
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(N(C)CC2CCCCO2)n1
InChIInChI=1S/C15H26N4O/c1-4-8-16-15-17-12(2)10-14(18-15)19(3)11-13-7-5-6-9-20-13/h10,13H,4-9,11H2,1-3H3,(H,16,17,18)
InChIKeyYCJAKDXQWYXRBJ-UHFFFAOYSA-N
XLogP2.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 78928250
6-chloro-N-methyl-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938173
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025
2-ethyl-6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80937281
4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80838599
5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
CID 104533314
N-methyl-N-(oxan-2-ylmethyl)-4-[1-(propylamino)ethyl]aniline
CID 61432333
N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62294783
6-(2-aminoethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 56718429
4-N-(cyclopentylmethyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80833627
4-N,6-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80751646
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine (CID 80796286) is 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(N(C)CC2CCCCO2)n1.
What is the InChIKey of 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is YCJAKDXQWYXRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-8-16-15-17-12(2)10-14(18-15)19(3)11-13-7-5-6-9-20-13/h10,13H,4-9,11H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80796286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).