5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine

C10H16N4 — CID 10313488

IUPAC5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine
SMILESCNC(C)C/C=C/c1cnc(N)nc1
InChIInChI=1S/C10H16N4/c1-8(12-2)4-3-5-9-6-13-10(11)14-7-9/h3,5-8,12H,4H2,1-2H3,(H2,11,13,14)/b5-3+
InChIKeyLSHGSCNOFCMMFN-HWKANZROSA-N
MW192.27 g/mol
LogP1.07
Rot. Bonds4

About 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine

5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine (PubChem CID 10313488) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine
PubChem CID10313488
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine
SMILESCNC(C)C/C=C/c1cnc(N)nc1
InChIInChI=1S/C10H16N4/c1-8(12-2)4-3-5-9-6-13-10(11)14-7-9/h3,5-8,12H,4H2,1-2H3,(H2,11,13,14)/b5-3+
InChIKeyLSHGSCNOFCMMFN-HWKANZROSA-N
XLogP1.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine?
The IUPAC name of 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine (CID 10313488) is 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine?
The canonical SMILES for 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine is CNC(C)C/C=C/c1cnc(N)nc1.
What is the InChIKey of 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine?
The InChIKey is LSHGSCNOFCMMFN-HWKANZROSA-N. The full InChI is InChI=1S/C10H16N4/c1-8(12-2)4-3-5-9-6-13-10(11)14-7-9/h3,5-8,12H,4H2,1-2H3,(H2,11,13,14)/b5-3+.
What are the key properties of 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine?
5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine has a molecular weight of 192.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4-(methylamino)pent-1-enyl]pyrimidin-2-amine is sourced from PubChem (CID 10313488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).