N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine

C20H28N4O — CID 119074155

IUPACN'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nc(C2CCOC2)cc(N(CCN(C)C)Cc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-16-21-19(18-9-12-25-15-18)13-20(22-16)24(11-10-23(2)3)14-17-7-5-4-6-8-17/h4-8,13,18H,9-12,14-15H2,1-3H3
InChIKeyXEBFBJCHUQFZID-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.86
Rot. Bonds7

About N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine

N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 119074155) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID119074155
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1nc(C2CCOC2)cc(N(CCN(C)C)Cc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-16-21-19(18-9-12-25-15-18)13-20(22-16)24(11-10-23(2)3)14-17-7-5-4-6-8-17/h4-8,13,18H,9-12,14-15H2,1-3H3
InChIKeyXEBFBJCHUQFZID-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine with MolForge

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Related Compounds

4-N-benzyl-4-N-[2-(dimethylamino)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126443450
N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119064787
3-[[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]-(pyridin-4-ylmethyl)amino]propan-1-ol
CID 118794411
N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 126439203
N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 119067183
4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126423761
2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol
CID 126452469
2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 118787676
4-N-butyl-6-[(3S)-oxolan-3-yl]-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 126424556
N-(2-benzylsulfanylethyl)-2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126430241
N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126432434
N,2-dimethyl-6-(oxolan-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 119063368

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine (CID 119074155) is N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine is Cc1nc(C2CCOC2)cc(N(CCN(C)C)Cc2ccccc2)n1.
What is the InChIKey of N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is XEBFBJCHUQFZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-21-19(18-9-12-25-15-18)13-20(22-16)24(11-10-23(2)3)14-17-7-5-4-6-8-17/h4-8,13,18H,9-12,14-15H2,1-3H3.
What are the key properties of N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine?
N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 340.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 119074155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).