ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine

C14H27N3 — CID 143800881

IUPACethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine
SMILESC=CC1=C(/C=C\C)N(C)C(N)=NC1.CC.CC
InChIInChI=1S/C10H15N3.2C2H6/c1-4-6-9-8(5-2)7-12-10(11)13(9)3;2*1-2/h4-6H,2,7H2,1,3H3,(H2,11,12);2*1-2H3/b6-4-;;
InChIKeyRBYTXOPSBFBXHB-XFUGJFOESA-N
MW237.39 g/mol
LogP3.32
Rot. Bonds2

About ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine

ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine (PubChem CID 143800881) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine.

Molecular Properties

Compound Nameethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine
PubChem CID143800881
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine
SMILESC=CC1=C(/C=C\C)N(C)C(N)=NC1.CC.CC
InChIInChI=1S/C10H15N3.2C2H6/c1-4-6-9-8(5-2)7-12-10(11)13(9)3;2*1-2/h4-6H,2,7H2,1,3H3,(H2,11,12);2*1-2H3/b6-4-;;
InChIKeyRBYTXOPSBFBXHB-XFUGJFOESA-N
XLogP3.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium
CID 59107798
1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
CID 89170466
5-ethenyl-2-N,2-N,4-N,4-N,3-pentamethyl-6-[(Z)-prop-1-enyl]-4H-pyrimidine-2,4-diamine
CID 138462046
2-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]guanidine
CID 142083489
N',4-dimethyl-2-methylidenepyridine-1-carboximidamide;ethane
CID 145222589
1-(1-Cyclohexa-2,4-dien-1-ylideneethyl)-1,2,3-trimethylguanidine
CID 175135643
1,4,5-Trimethyl-6-methylidenepyrimidin-2-amine
CID 129938175
1,5,6-Trimethyl-4-methylidenepyrimidin-2-amine
CID 129938176
5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine
CID 143800882
N',4-dimethyl-2-methylidenepyridine-1-carboximidamide
CID 145222590
6-N,4-dimethyl-6-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157424651
6-N,6-N,4-trimethyl-2-N-(2-methylcyclopenta-1,4-dien-1-yl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157424652

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine?
The IUPAC name of ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine (CID 143800881) is ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine.
What is the SMILES notation for ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine?
The canonical SMILES for ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine is C=CC1=C(/C=C\C)N(C)C(N)=NC1.CC.CC.
What is the InChIKey of ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine?
The InChIKey is RBYTXOPSBFBXHB-XFUGJFOESA-N. The full InChI is InChI=1S/C10H15N3.2C2H6/c1-4-6-9-8(5-2)7-12-10(11)13(9)3;2*1-2/h4-6H,2,7H2,1,3H3,(H2,11,12);2*1-2H3/b6-4-;;.
What are the key properties of ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine?
ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine is sourced from PubChem (CID 143800881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).