2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine

C18H18N4 — CID 153385150

IUPAC2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine
SMILESC=CC1=C(/C=C\C)c2ccc(Nc3nccc(N)n3)cc2C1
InChIInChI=1S/C18H18N4/c1-3-5-15-12(4-2)10-13-11-14(6-7-16(13)15)21-18-20-9-8-17(19)22-18/h3-9,11H,2,10H2,1H3,(H3,19,20,21,22)/b5-3-
InChIKeyDYUIQAJMPDPKAL-HYXAFXHYSA-N
MW290.37 g/mol
LogP3.87
Rot. Bonds4

About 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine

2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine (PubChem CID 153385150) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine
PubChem CID153385150
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine
SMILESC=CC1=C(/C=C\C)c2ccc(Nc3nccc(N)n3)cc2C1
InChIInChI=1S/C18H18N4/c1-3-5-15-12(4-2)10-13-11-14(6-7-16(13)15)21-18-20-9-8-17(19)22-18/h3-9,11H,2,10H2,1H3,(H3,19,20,21,22)/b5-3-
InChIKeyDYUIQAJMPDPKAL-HYXAFXHYSA-N
XLogP3.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine (CID 153385150) is 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine is C=CC1=C(/C=C\C)c2ccc(Nc3nccc(N)n3)cc2C1.
What is the InChIKey of 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine?
The InChIKey is DYUIQAJMPDPKAL-HYXAFXHYSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-5-15-12(4-2)10-13-11-14(6-7-16(13)15)21-18-20-9-8-17(19)22-18/h3-9,11H,2,10H2,1H3,(H3,19,20,21,22)/b5-3-.
What are the key properties of 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine?
2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-ethenyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 153385150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).