4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride

C16H23ClN4O — CID 82022788

IUPAC4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
SMILESCC(C)Oc1ccc(-c2cc(CN)nc(N(C)C)n2)cc1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-11(2)21-14-7-5-12(6-8-14)15-9-13(10-17)18-16(19-15)20(3)4;/h5-9,11H,10,17H2,1-4H3;1H
InChIKeyDWWLVDPFIVLHRR-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.88
Rot. Bonds5

About 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride

4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride (PubChem CID 82022788) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
PubChem CID82022788
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
SMILESCC(C)Oc1ccc(-c2cc(CN)nc(N(C)C)n2)cc1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-11(2)21-14-7-5-12(6-8-14)15-9-13(10-17)18-16(19-15)20(3)4;/h5-9,11H,10,17H2,1-4H3;1H
InChIKeyDWWLVDPFIVLHRR-UHFFFAOYSA-N
XLogP2.88
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 157488014
2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
CID 62203678
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 82191630
2-[2-methyl-4-(4-propan-2-yloxyphenyl)imidazol-1-yl]ethanamine
CID 95466244
4-chloro-6-(4-propan-2-yloxyphenyl)-2-propylpyrimidine
CID 80946367
[4-[6-(aminomethyl)-2-(dimethylamino)pyrimidin-4-yl]oxyphenyl]methanethiol
CID 146590139
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
5-methyl-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 116856590
[3-(4-propan-2-yloxyphenyl)pyrazin-2-yl]methanamine
CID 82478088
4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide
CID 74230629

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride (CID 82022788) is 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride is CC(C)Oc1ccc(-c2cc(CN)nc(N(C)C)n2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride?
The InChIKey is DWWLVDPFIVLHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-11(2)21-14-7-5-12(6-8-14)15-9-13(10-17)18-16(19-15)20(3)4;/h5-9,11H,10,17H2,1-4H3;1H.
What are the key properties of 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride?
4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,N-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 82022788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).