6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine

C14H23ClN4 — CID 63728295

IUPAC6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)CN1CCCC1
InChIInChI=1S/C14H23ClN4/c1-3-6-12-13(15)16-10-17-14(12)18-11(2)9-19-7-4-5-8-19/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyDUGJHPQWYPSCSP-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.98
Rot. Bonds6

About 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine

6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine (PubChem CID 63728295) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
PubChem CID63728295
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC(C)CN1CCCC1
InChIInChI=1S/C14H23ClN4/c1-3-6-12-13(15)16-10-17-14(12)18-11(2)9-19-7-4-5-8-19/h10-11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyDUGJHPQWYPSCSP-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine (CID 63728295) is 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine is CCCc1c(Cl)ncnc1NC(C)CN1CCCC1.
What is the InChIKey of 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is DUGJHPQWYPSCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-3-6-12-13(15)16-10-17-14(12)18-11(2)9-19-7-4-5-8-19/h10-11H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine?
6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 282.82 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 63728295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).