4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

C16H20N4O — CID 126423761

IUPAC4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1cc([C@@H]2CCOC2)nc(N)n1
InChIInChI=1S/C16H20N4O/c1-20(10-12-5-3-2-4-6-12)15-9-14(18-16(17)19-15)13-7-8-21-11-13/h2-6,9,13H,7-8,10-11H2,1H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyUFKYXMKWZXEWDA-CYBMUJFWSA-N
MW284.36 g/mol
LogP2.20
Rot. Bonds4

About 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126423761) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126423761
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1cc([C@@H]2CCOC2)nc(N)n1
InChIInChI=1S/C16H20N4O/c1-20(10-12-5-3-2-4-6-12)15-9-14(18-16(17)19-15)13-7-8-21-11-13/h2-6,9,13H,7-8,10-11H2,1H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyUFKYXMKWZXEWDA-CYBMUJFWSA-N
XLogP2.20
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-N-[(2-chlorophenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126453900
4-N-(2-aminoethyl)-4-N-methyl-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 53378714
4-N-[(5-chloro-2-methoxyphenyl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126452160
4-N-methyl-6-[(3R)-oxolan-3-yl]-4-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 126431503
4-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126431641
4-N-methyl-6-(oxolan-3-yl)-4-N-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 119070495
4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125176371
4-N-methyl-6-[(3S)-oxolan-3-yl]-4-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 126430763
N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119074155
4-N-butyl-6-[(3S)-oxolan-3-yl]-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 126424556
3-[[[2-(2-hydroxyethylamino)-6-(oxolan-3-yl)pyrimidin-4-yl]-methylamino]methyl]phenol
CID 119073055

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126423761) is 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is CN(Cc1ccccc1)c1cc([C@@H]2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is UFKYXMKWZXEWDA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(10-12-5-3-2-4-6-12)15-9-14(18-16(17)19-15)13-7-8-21-11-13/h2-6,9,13H,7-8,10-11H2,1H3,(H2,17,18,19)/t13-/m1/s1.
What are the key properties of 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 284.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126423761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).