6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine

C11H16N4 — CID 112907684

IUPAC6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
SMILESC=CCNc1cc(C)nc(NCC=C)n1
InChIInChI=1S/C11H16N4/c1-4-6-12-10-8-9(3)14-11(15-10)13-7-5-2/h4-5,8H,1-2,6-7H2,3H3,(H2,12,13,14,15)
InChIKeyCZXUXNMUCJPNSA-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.98
Rot. Bonds6

About 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine

6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine (PubChem CID 112907684) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
PubChem CID112907684
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
SMILESC=CCNc1cc(C)nc(NCC=C)n1
InChIInChI=1S/C11H16N4/c1-4-6-12-10-8-9(3)14-11(15-10)13-7-5-2/h4-5,8H,1-2,6-7H2,3H3,(H2,12,13,14,15)
InChIKeyCZXUXNMUCJPNSA-UHFFFAOYSA-N
XLogP1.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907715
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908076
4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908006
4-N-(4-chlorophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907997
6-methyl-4-N-prop-2-enyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112907721
2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine
CID 130512695
4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907953
2-N-(2,3-dichlorophenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907868
2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907755
4-N-[2-(3-methoxyphenyl)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907924
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907821
3-[[6-methyl-2-(prop-2-enylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112908070

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine (CID 112907684) is 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine is C=CCNc1cc(C)nc(NCC=C)n1.
What is the InChIKey of 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine?
The InChIKey is CZXUXNMUCJPNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-6-12-10-8-9(3)14-11(15-10)13-7-5-2/h4-5,8H,1-2,6-7H2,3H3,(H2,12,13,14,15).
What are the key properties of 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine?
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine has a molecular weight of 204.28 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112907684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).