N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine

C11H17N3 — CID 58336190

IUPACN,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine
SMILESC/C=C/c1nc(N(C)C)nc(C)c1C
InChIInChI=1S/C11H17N3/c1-6-7-10-8(2)9(3)12-11(13-10)14(4)5/h6-7H,1-5H3/b7-6+
InChIKeyPDVOQAOVZAQUJO-VOTSOKGWSA-N
MW191.28 g/mol
LogP2.19
Rot. Bonds2

About N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine

N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine (PubChem CID 58336190) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine
PubChem CID58336190
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine
SMILESC/C=C/c1nc(N(C)C)nc(C)c1C
InChIInChI=1S/C11H17N3/c1-6-7-10-8(2)9(3)12-11(13-10)14(4)5/h6-7H,1-5H3/b7-6+
InChIKeyPDVOQAOVZAQUJO-VOTSOKGWSA-N
XLogP2.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine?
The IUPAC name of N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine (CID 58336190) is N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine.
What is the SMILES notation for N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine?
The canonical SMILES for N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine is C/C=C/c1nc(N(C)C)nc(C)c1C.
What is the InChIKey of N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine?
The InChIKey is PDVOQAOVZAQUJO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H17N3/c1-6-7-10-8(2)9(3)12-11(13-10)14(4)5/h6-7H,1-5H3/b7-6+.
What are the key properties of N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine?
N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine has a molecular weight of 191.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,5-tetramethyl-6-[(E)-prop-1-enyl]pyrimidin-2-amine is sourced from PubChem (CID 58336190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).