4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C16H26N4O2 — CID 131907453

IUPAC4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCO[C@H]1COCC[C@@H]1Nc1nc(N(C)C)nc2c1CCCC2
InChIInChI=1S/C16H26N4O2/c1-20(2)16-18-12-7-5-4-6-11(12)15(19-16)17-13-8-9-22-10-14(13)21-3/h13-14H,4-10H2,1-3H3,(H,17,18,19)/t13-,14-/m0/s1
InChIKeyYBKBIJGBVCAAIS-KBPBESRZSA-N
MW306.41 g/mol
LogP1.64
Rot. Bonds4

About 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 131907453) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID131907453
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCO[C@H]1COCC[C@@H]1Nc1nc(N(C)C)nc2c1CCCC2
InChIInChI=1S/C16H26N4O2/c1-20(2)16-18-12-7-5-4-6-11(12)15(19-16)17-13-8-9-22-10-14(13)21-3/h13-14H,4-10H2,1-3H3,(H,17,18,19)/t13-,14-/m0/s1
InChIKeyYBKBIJGBVCAAIS-KBPBESRZSA-N
XLogP1.64
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine with MolForge

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Related Compounds

2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 62191134
4-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-1,4-oxazepan-6-ol
CID 70786184
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 91786522
N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 166210438
N-[(3S,4R)-3-methoxyoxan-4-yl]thieno[3,2-d]pyrimidin-4-amine
CID 91793439
N-[(3R,4S)-3-methoxyoxan-4-yl]-1,3-benzothiazol-2-amine
CID 131926651
N-[(3S,4R)-4-methoxyoxolan-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131894866
N-(2-methyloxolan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 82729364
1-[4-(cycloheptylamino)-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70711655
N-[(3S,4R)-4-methoxyoxolan-3-yl]-2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56754121
2-N,2-N-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 62192419
N-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80714080

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 131907453) is 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CO[C@H]1COCC[C@@H]1Nc1nc(N(C)C)nc2c1CCCC2.
What is the InChIKey of 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is YBKBIJGBVCAAIS-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-20(2)16-18-12-7-5-4-6-11(12)15(19-16)17-13-8-9-22-10-14(13)21-3/h13-14H,4-10H2,1-3H3,(H,17,18,19)/t13-,14-/m0/s1.
What are the key properties of 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 306.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3R,4S)-3-methoxyoxan-4-yl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 131907453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).