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

C16H26N4O2 — CID 99703962

IUPAC4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
SMILESCN(C[C@@H]1CCOC1)c1cc(N(C)C[C@@H]2CCOC2)ncn1
InChIInChI=1S/C16H26N4O2/c1-19(8-13-3-5-21-10-13)15-7-16(18-12-17-15)20(2)9-14-4-6-22-11-14/h7,12-14H,3-6,8-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyWVKUQHWWASVKNU-KBPBESRZSA-N
MW306.41 g/mol
LogP1.42
Rot. Bonds6

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

4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine (PubChem CID 99703962) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
PubChem CID99703962
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine
SMILESCN(C[C@@H]1CCOC1)c1cc(N(C)C[C@@H]2CCOC2)ncn1
InChIInChI=1S/C16H26N4O2/c1-19(8-13-3-5-21-10-13)15-7-16(18-12-17-15)20(2)9-14-4-6-22-11-14/h7,12-14H,3-6,8-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyWVKUQHWWASVKNU-KBPBESRZSA-N
XLogP1.42
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

[6-[methyl(oxan-4-ylmethyl)amino]pyrimidin-4-yl]cyanamide
CID 115264692
N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
CID 130899262
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 75511399
N-methyl-N-(oxolan-3-ylmethyl)-3-propan-2-yloxypyrazin-2-amine
CID 133455194
6-(cyclopentylmethoxy)-N-methyl-N-(oxolan-3-ylmethyl)pyrazin-2-amine
CID 133485489
4-N,6-N-dimethyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265595
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
CID 97044604
2-N,4-N,5-trimethyl-2-N,4-N-bis(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 71922518
[2-[methyl(oxan-4-ylmethyl)amino]-4-pyridinyl]methanol
CID 63711407
6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
CID 62856781
4-N-(2-aminopropyl)-6-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265897
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine (CID 99703962) is 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine is CN(C[C@@H]1CCOC1)c1cc(N(C)C[C@@H]2CCOC2)ncn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine?
The InChIKey is WVKUQHWWASVKNU-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19(8-13-3-5-21-10-13)15-7-16(18-12-17-15)20(2)9-14-4-6-22-11-14/h7,12-14H,3-6,8-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine has a molecular weight of 306.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N,6-N-bis[[(3S)-oxolan-3-yl]methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 99703962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).