N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine

C14H26N4 — CID 118972846

IUPACN-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine
SMILESCCC(C)N(C)C1N=CNC(C/C=C\NC)=C1C
InChIInChI=1S/C14H26N4/c1-6-11(2)18(5)14-12(3)13(16-10-17-14)8-7-9-15-4/h7,9-11,14-15H,6,8H2,1-5H3,(H,16,17)/b9-7-
InChIKeyJXYZVFDTJCQESG-CLFYSBASSA-N
MW250.39 g/mol
LogP2.07
Rot. Bonds6

About N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine

N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine (PubChem CID 118972846) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine
PubChem CID118972846
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine
SMILESCCC(C)N(C)C1N=CNC(C/C=C\NC)=C1C
InChIInChI=1S/C14H26N4/c1-6-11(2)18(5)14-12(3)13(16-10-17-14)8-7-9-15-4/h7,9-11,14-15H,6,8H2,1-5H3,(H,16,17)/b9-7-
InChIKeyJXYZVFDTJCQESG-CLFYSBASSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine (CID 118972846) is N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine is CCC(C)N(C)C1N=CNC(C/C=C\NC)=C1C.
What is the InChIKey of N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine?
The InChIKey is JXYZVFDTJCQESG-CLFYSBASSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-11(2)18(5)14-12(3)13(16-10-17-14)8-7-9-15-4/h7,9-11,14-15H,6,8H2,1-5H3,(H,16,17)/b9-7-.
What are the key properties of N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine?
N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,5-dimethyl-6-[(Z)-3-(methylamino)prop-2-enyl]-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 118972846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).