4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine

C15H26N4 — CID 83188945

IUPAC4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESC=CCN(c1ncc(CNCCC)c(C)n1)C(C)C
InChIInChI=1S/C15H26N4/c1-6-8-16-10-14-11-17-15(18-13(14)5)19(9-7-2)12(3)4/h7,11-12,16H,2,6,8-10H2,1,3-5H3
InChIKeyORQFSGWZSXJUBD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds8

About 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine

4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine (PubChem CID 83188945) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine
PubChem CID83188945
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESC=CCN(c1ncc(CNCCC)c(C)n1)C(C)C
InChIInChI=1S/C15H26N4/c1-6-8-16-10-14-11-17-15(18-13(14)5)19(9-7-2)12(3)4/h7,11-12,16H,2,6,8-10H2,1,3-5H3
InChIKeyORQFSGWZSXJUBD-UHFFFAOYSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine
CID 83188795
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185815
N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185277
N,4-dimethyl-N-(2-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185424
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 112665398
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83180589
N-ethyl-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 83185946
N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 83185920
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
5-[(cyclopropylamino)methyl]-4-methyl-N-propan-2-yl-N-propylpyrimidin-2-amine
CID 83185509

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine (CID 83188945) is 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine is C=CCN(c1ncc(CNCCC)c(C)n1)C(C)C.
What is the InChIKey of 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine?
The InChIKey is ORQFSGWZSXJUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-6-8-16-10-14-11-17-15(18-13(14)5)19(9-7-2)12(3)4/h7,11-12,16H,2,6,8-10H2,1,3-5H3.
What are the key properties of 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine?
4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 83188945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).