2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine

C12H18N4 — CID 139612143

IUPAC2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine
SMILESC=C(C)CNc1ccnc(NCC(=C)C)n1
InChIInChI=1S/C12H18N4/c1-9(2)7-14-11-5-6-13-12(16-11)15-8-10(3)4/h5-6H,1,3,7-8H2,2,4H3,(H2,13,14,15,16)
InChIKeyZFUMNSMVSAOFQR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.45
Rot. Bonds6

About 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine

2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine (PubChem CID 139612143) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine
PubChem CID139612143
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine
SMILESC=C(C)CNc1ccnc(NCC(=C)C)n1
InChIInChI=1S/C12H18N4/c1-9(2)7-14-11-5-6-13-12(16-11)15-8-10(3)4/h5-6H,1,3,7-8H2,2,4H3,(H2,13,14,15,16)
InChIKeyZFUMNSMVSAOFQR-UHFFFAOYSA-N
XLogP2.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.45
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

N-(2-methylprop-2-enyl)-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46993257
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
1-[[2-(ethylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779056
N-cyclopropyl-2-[[2-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80793366
N-tert-butyl-2-[(2-hydrazinylpyrimidin-4-yl)amino]acetamide
CID 115357503
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
CID 116797364
2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855731
3-N-(2-methylprop-2-enyl)pyridazine-3,6-diamine
CID 114619402
3-[[2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80787264
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 114139889
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine (CID 139612143) is 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine is C=C(C)CNc1ccnc(NCC(=C)C)n1.
What is the InChIKey of 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine?
The InChIKey is ZFUMNSMVSAOFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9(2)7-14-11-5-6-13-12(16-11)15-8-10(3)4/h5-6H,1,3,7-8H2,2,4H3,(H2,13,14,15,16).
What are the key properties of 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine?
2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine has a molecular weight of 218.30 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-methylprop-2-enyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 139612143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).