4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine

C12H20N4O — CID 80825653

IUPAC4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCOC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-4-13-11-6-12(16-9-15-11)14-7-10-3-5-17-8-10/h6,9-10H,2-5,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyRFBYPIHEKFTAKF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.75
Rot. Bonds6

About 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine

4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80825653) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80825653
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCOC2)ncn1
InChIInChI=1S/C12H20N4O/c1-2-4-13-11-6-12(16-9-15-11)14-7-10-3-5-17-8-10/h6,9-10H,2-5,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyRFBYPIHEKFTAKF-UHFFFAOYSA-N
XLogP1.75
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80958677
4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80828903
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
2-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264871
N-(oxan-4-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126444261
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80955245
6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265570
4-N-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80769657
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834407
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537
8-N-(oxolan-3-ylmethyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80825476

Frequently Asked Questions

What is the IUPAC name of 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80825653) is 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CCOC2)ncn1.
What is the InChIKey of 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is RFBYPIHEKFTAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-4-13-11-6-12(16-9-15-11)14-7-10-3-5-17-8-10/h6,9-10H,2-5,7-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine?
4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).