N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C12H16ClN3OS — CID 106181337

IUPACN-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(CCl)Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C12H16ClN3OS/c1-7-8(2)18-12-10(7)11(14-6-15-12)16-9(4-13)5-17-3/h6,9H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyIMOGMNCQLYWJRC-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.97
Rot. Bonds5

About N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 106181337) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID106181337
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(CCl)Nc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C12H16ClN3OS/c1-7-8(2)18-12-10(7)11(14-6-15-12)16-9(4-13)5-17-3/h6,9H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyIMOGMNCQLYWJRC-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106154660
1-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106244472
N-(3-chloro-2-methylpropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65037549
3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83180101
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
4-[[(2R)-1-methoxybutan-2-yl]amino]-5-methyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26351700
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
(2R)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 1076131
5,6-dimethyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 731283
(2S,3S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoate
CID 6939424
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 103746126
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 106181337) is N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COCC(CCl)Nc1ncnc2sc(C)c(C)c12.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IMOGMNCQLYWJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-7-8(2)18-12-10(7)11(14-6-15-12)16-9(4-13)5-17-3/h6,9H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 285.80 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106181337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).