N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine

C11H13ClN4 — CID 155102646

IUPACN-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(Cl)nc2cccnc12
InChIInChI=1S/C11H13ClN4/c1-11(2,3)16-9-8-7(5-4-6-13-8)14-10(12)15-9/h4-6H,1-3H3,(H,14,15,16)
InChIKeySLXSWKGTAKIAEC-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.89
Rot. Bonds1

About N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine

N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine (PubChem CID 155102646) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine
PubChem CID155102646
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC NameN-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)Nc1nc(Cl)nc2cccnc12
InChIInChI=1S/C11H13ClN4/c1-11(2,3)16-9-8-7(5-4-6-13-8)14-10(12)15-9/h4-6H,1-3H3,(H,14,15,16)
InChIKeySLXSWKGTAKIAEC-UHFFFAOYSA-N
XLogP2.89
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 155116977
(3S)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-3-methylheptan-2-ol
CID 122585247
(2R)-2-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylheptanoic acid
CID 155182983
(5R)-5-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5-methyldecan-2-one
CID 157159263
2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 118239615
methyl (2R)-2-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexanoate
CID 122585045
(2R,3R)-3-[(2-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-1,1,1-trifluoroheptan-2-ol
CID 122585001
2-chloro-N,N-diethylpyrido[3,2-d]pyrimidin-4-amine
CID 74889398
4-N-[(3S)-3-methylhexan-3-yl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 122598693
2-chloro-N-(1H-inden-5-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 165037811
N-tert-butyl-3-iodopyridin-2-amine
CID 163216156
N-tert-butyl-2-chloro-6,7-dimethylpteridin-4-amine
CID 82459623

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine (CID 155102646) is N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine is CC(C)(C)Nc1nc(Cl)nc2cccnc12.
What is the InChIKey of N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is SLXSWKGTAKIAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-11(2,3)16-9-8-7(5-4-6-13-8)14-10(12)15-9/h4-6H,1-3H3,(H,14,15,16).
What are the key properties of N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine?
N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 236.71 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 155102646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).