N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine

C14H23N3 — CID 133472393

IUPACN-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCC(C)N(C)c1nc(C)nc2c1CCCC2
InChIInChI=1S/C14H23N3/c1-5-10(2)17(4)14-12-8-6-7-9-13(12)15-11(3)16-14/h10H,5-9H2,1-4H3
InChIKeyJINXZJIKHUYWBR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.90
Rot. Bonds3

About N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133472393) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133472393
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCC(C)N(C)c1nc(C)nc2c1CCCC2
InChIInChI=1S/C14H23N3/c1-5-10(2)17(4)14-12-8-6-7-9-13(12)15-11(3)16-14/h10H,5-9H2,1-4H3
InChIKeyJINXZJIKHUYWBR-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol
CID 133472784
N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 122628517
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol
CID 133461051
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73293920
2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol
CID 133462148
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
2-[butyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]acetamide
CID 133472820
N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
N-(cyclopropylmethyl)-2-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462016
N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
CID 157030208
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133472393) is N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCC(C)N(C)c1nc(C)nc2c1CCCC2.
What is the InChIKey of N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is JINXZJIKHUYWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-5-10(2)17(4)14-12-8-6-7-9-13(12)15-11(3)16-14/h10H,5-9H2,1-4H3.
What are the key properties of N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133472393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).