5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine

C10H15ClN4O2 — CID 122567356

IUPAC5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine
SMILESCO[C@H]1COC[C@@H]1Nc1nc(N)nc(C)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-5-8(11)9(15-10(12)13-5)14-6-3-17-4-7(6)16-2/h6-7H,3-4H2,1-2H3,(H3,12,13,14,15)/t6-,7-/m0/s1
InChIKeyAIWUQEDIHGARET-BQBZGAKWSA-N
MW258.71 g/mol
LogP0.85
Rot. Bonds3

About 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine

5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine (PubChem CID 122567356) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine
PubChem CID122567356
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine
SMILESCO[C@H]1COC[C@@H]1Nc1nc(N)nc(C)c1Cl
InChIInChI=1S/C10H15ClN4O2/c1-5-8(11)9(15-10(12)13-5)14-6-3-17-4-7(6)16-2/h6-7H,3-4H2,1-2H3,(H3,12,13,14,15)/t6-,7-/m0/s1
InChIKeyAIWUQEDIHGARET-BQBZGAKWSA-N
XLogP0.85
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N~4~-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine
CID 122558047
5-chloro-N~4~-[rac-(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-methylpyrimidine-2,4-diamine
CID 122569183
5-chloro-N~4~-[rac-(3S,4R)-4-ethoxytetrahydrofuran-3-yl]-6-methylpyrimidine-2,4-diamine
CID 124215359
3-[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]-1,5-anhydro-2,3-dideoxy-4-O-[2-(dimethylamino)ethyl]-D-threo-pentitol
CID 91777194
(R)-5-iodo-6-methyl-N4-(tetrahydrofuran-3-yl)pyrimidine-2,4-diamine
CID 59272736
5-Iodo-6-methyl-n4-(tetrahydrofuran-3-yl)pyrimidine-2,4-diamine
CID 59445286
5-chloro-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90249306
5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 91143171
2,5-dichloro-6-(methoxymethyl)-N-[(2S)-1-(oxiran-2-ylmethoxy)propan-2-yl]pyrimidin-4-amine
CID 132179101
5,6-dimethyl-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine;ethane
CID 143970006
5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane
CID 143970013
5,6-dimethyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine;ethane
CID 145495997

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine (CID 122567356) is 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine is CO[C@H]1COC[C@@H]1Nc1nc(N)nc(C)c1Cl.
What is the InChIKey of 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is AIWUQEDIHGARET-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-5-8(11)9(15-10(12)13-5)14-6-3-17-4-7(6)16-2/h6-7H,3-4H2,1-2H3,(H3,12,13,14,15)/t6-,7-/m0/s1.
What are the key properties of 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine?
5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 258.71 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(3S,4R)-4-methoxyoxolan-3-yl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 122567356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).