N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine

C17H24N4 — CID 106620526

IUPACN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
SMILESCC(C)CN(CC1CCCN1)c1ncnc2ccccc12
InChIInChI=1S/C17H24N4/c1-13(2)10-21(11-14-6-5-9-18-14)17-15-7-3-4-8-16(15)19-12-20-17/h3-4,7-8,12-14,18H,5-6,9-11H2,1-2H3
InChIKeyLLKHRIVNMQOQEM-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.84
Rot. Bonds5

About N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine (PubChem CID 106620526) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
PubChem CID106620526
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
SMILESCC(C)CN(CC1CCCN1)c1ncnc2ccccc12
InChIInChI=1S/C17H24N4/c1-13(2)10-21(11-14-6-5-9-18-14)17-15-7-3-4-8-16(15)19-12-20-17/h3-4,7-8,12-14,18H,5-6,9-11H2,1-2H3
InChIKeyLLKHRIVNMQOQEM-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 106620738
N,N-bis(2-methylpropyl)quinazolin-4-amine;hydrochloride
CID 18590526
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinazolin-4-amine
CID 106640940
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620786
3,5-dibromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620585
4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
CID 102820335
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
N-(2-methylpropyl)-6-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106973354
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106620669
6-ethoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106620572

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine (CID 106620526) is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine is CC(C)CN(CC1CCCN1)c1ncnc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is LLKHRIVNMQOQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(2)10-21(11-14-6-5-9-18-14)17-15-7-3-4-8-16(15)19-12-20-17/h3-4,7-8,12-14,18H,5-6,9-11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine?
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 106620526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).