4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine

C16H20N4O3 — CID 135101105

IUPAC4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1
InChIInChI=1S/C16H20N4O3/c1-21-14-8-15(22-2)20-16(19-14)18-13-10-23-9-12(13)7-11-3-5-17-6-4-11/h3-6,8,12-13H,7,9-10H2,1-2H3,(H,18,19,20)/t12-,13-/m1/s1
InChIKeyXDZHETDNZQJOMF-CHWSQXEVSA-N
MW316.36 g/mol
LogP1.56
Rot. Bonds6

About 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine

4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine (PubChem CID 135101105) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
PubChem CID135101105
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1
InChIInChI=1S/C16H20N4O3/c1-21-14-8-15(22-2)20-16(19-14)18-13-10-23-9-12(13)7-11-3-5-17-6-4-11/h3-6,8,12-13H,7,9-10H2,1-2H3,(H,18,19,20)/t12-,13-/m1/s1
InChIKeyXDZHETDNZQJOMF-CHWSQXEVSA-N
XLogP1.56
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135114364
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
5-phenyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,2,4-oxadiazol-3-amine
CID 135094889
3,6-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazin-2-amine
CID 134698415
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
4-[4-(dimethylamino)phenyl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine
CID 162627454
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017
(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol
CID 91771624
2-methoxy-5-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135095493
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078
5-chloro-6-methyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135097590
3-ethyl-4-methoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135110468

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine (CID 135101105) is 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine is COc1cc(OC)nc(N[C@@H]2COC[C@H]2Cc2ccncc2)n1.
What is the InChIKey of 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is XDZHETDNZQJOMF-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-21-14-8-15(22-2)20-16(19-14)18-13-10-23-9-12(13)7-11-3-5-17-6-4-11/h3-6,8,12-13H,7,9-10H2,1-2H3,(H,18,19,20)/t12-,13-/m1/s1.
What are the key properties of 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine?
4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 135101105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).