N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine

C16H26N4O2 — CID 146145654

IUPACN-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine
SMILESC[C@@H]1CCN[C@H](CNc2cc(OC3CCOCC3)ncn2)C1
InChIInChI=1S/C16H26N4O2/c1-12-2-5-17-13(8-12)10-18-15-9-16(20-11-19-15)22-14-3-6-21-7-4-14/h9,11-14,17H,2-8,10H2,1H3,(H,18,19,20)/t12-,13+/m1/s1
InChIKeyYXPZWSBWVCNAJM-OLZOCXBDSA-N
MW306.41 g/mol
LogP1.83
Rot. Bonds5

About N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine

N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine (PubChem CID 146145654) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine
PubChem CID146145654
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine
SMILESC[C@@H]1CCN[C@H](CNc2cc(OC3CCOCC3)ncn2)C1
InChIInChI=1S/C16H26N4O2/c1-12-2-5-17-13(8-12)10-18-15-9-16(20-11-19-15)22-14-3-6-21-7-4-14/h9,11-14,17H,2-8,10H2,1H3,(H,18,19,20)/t12-,13+/m1/s1
InChIKeyYXPZWSBWVCNAJM-OLZOCXBDSA-N
XLogP1.83
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine?
The IUPAC name of N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine (CID 146145654) is N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine?
The canonical SMILES for N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine is C[C@@H]1CCN[C@H](CNc2cc(OC3CCOCC3)ncn2)C1.
What is the InChIKey of N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine?
The InChIKey is YXPZWSBWVCNAJM-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-2-5-17-13(8-12)10-18-15-9-16(20-11-19-15)22-14-3-6-21-7-4-14/h9,11-14,17H,2-8,10H2,1H3,(H,18,19,20)/t12-,13+/m1/s1.
What are the key properties of N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine?
N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine has a molecular weight of 306.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4R)-4-methylpiperidin-2-yl]methyl]-6-(oxan-4-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 146145654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).