4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine

C16H28N4 — CID 83188795

IUPAC4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCN(c1ncc(CNCC(C)C)c(C)n1)C(C)C
InChIInChI=1S/C16H28N4/c1-7-8-20(13(4)5)16-18-11-15(14(6)19-16)10-17-9-12(2)3/h7,11-13,17H,1,8-10H2,2-6H3
InChIKeyPBTIHJLHOWYSRX-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.93
Rot. Bonds8

About 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine

4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine (PubChem CID 83188795) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine
PubChem CID83188795
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCN(c1ncc(CNCC(C)C)c(C)n1)C(C)C
InChIInChI=1S/C16H28N4/c1-7-8-20(13(4)5)16-18-11-15(14(6)19-16)10-17-9-12(2)3/h7,11-13,17H,1,8-10H2,2-6H3
InChIKeyPBTIHJLHOWYSRX-UHFFFAOYSA-N
XLogP2.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83188945
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185815
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyridin-3-amine
CID 105074326
N-cyclopropyl-4-methyl-5-[(2-methylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 83185783
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 107401794
N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 83179075
N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 114206549
5-(aminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185816
N-(2-methoxyethyl)-2-methyl-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340214
[2-[ethyl(propan-2-yl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine (CID 83188795) is 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine is C=CCN(c1ncc(CNCC(C)C)c(C)n1)C(C)C.
What is the InChIKey of 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is PBTIHJLHOWYSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-7-8-20(13(4)5)16-18-11-15(14(6)19-16)10-17-9-12(2)3/h7,11-13,17H,1,8-10H2,2-6H3.
What are the key properties of 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine?
4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 83188795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).